(5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone

C15H24N4O — CID 118742610

IUPAC(5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCCC(C)N1Cc2c(C(=O)N3CCCC3)nn(C)c2C1
InChIInChI=1S/C15H24N4O/c1-4-11(2)19-9-12-13(10-19)17(3)16-14(12)15(20)18-7-5-6-8-18/h11H,4-10H2,1-3H3
InChIKeyRWVAZOSXNYJODK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.77
Rot. Bonds3

About (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone

(5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 118742610) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID118742610
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCCC(C)N1Cc2c(C(=O)N3CCCC3)nn(C)c2C1
InChIInChI=1S/C15H24N4O/c1-4-11(2)19-9-12-13(10-19)17(3)16-14(12)15(20)18-7-5-6-8-18/h11H,4-10H2,1-3H3
InChIKeyRWVAZOSXNYJODK-UHFFFAOYSA-N
XLogP1.77
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone (CID 118742610) is (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone is CCC(C)N1Cc2c(C(=O)N3CCCC3)nn(C)c2C1.
What is the InChIKey of (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is RWVAZOSXNYJODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-11(2)19-9-12-13(10-19)17(3)16-14(12)15(20)18-7-5-6-8-18/h11H,4-10H2,1-3H3.
What are the key properties of (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
(5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 276.38 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118742610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).